8-Quinolinyl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C15H15NO7
IUPAC Name (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(8-quinolyloxy)tetrahydropyran-2-carboxylic acid
Molecular Mass 321.282 g·mol−1
Heat of Formation -991.2 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 351.59 Å 3
Surface Area 307.93 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(8-quinolyloxy)-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(8-quinolyloxy)tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-quinolin-8-yloxy-oxane-2-carboxylic acid
  • 8-hydroxyquinoline glucuronide
  • 8-quinolyl beta-d-glucopyranosiduronic acid
  • beta-d-glucopyranosiduronic acid, 8-quinolinyl (9ci)
  • beta-d-glucopyranosiduronic acid, 8-quinolyl-
  • glucopyranosiduronic acid, 8-quinolyl, beta-d-
  • quinolyl glucuronide
InChIKey DPEGQJDYRIQRHI-DKBOKBLXSA-N
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